MMsINC: a large-scale chemoinformatics database.
MMsINC (http://mms.dsfarm.unipd.it/MMsINC/search) is a database of non-redundant, richly annotated and biomedically relevant chemical structures. A primary goal of MMsINC is to guarantee the highest quality and the uniqueness of each entry. MMsINC then adds value to these entries by including the analysis of crucial chemical properties, such as ionization and tautomerization processes, and the in silico prediction of 24 important molecular properties in the biochemical profile of each structure. MMsINC is consequently a natural input for different chemoinformatics and virtual screening applications. In addition, MMsINC supports various types of queries, including substructure queries and the novel 'molecular scissoring' query. MMsINC is interfaced with other primary data collectors, such as PubChem, Protein Data Bank (PDB), the Food and Drug Administration database of approved drugs and ZINC.
Masciocchi
Joel
J
CRS4 - Bioinformatics Laboratory, Parco Sardegna Ricerche, Pula (CA) 09010, Italy.
Frau
Gianfranco
G
Fanton
Marco
M
Sturlese
Mattia
M
Floris
Matteo
M
Pireddu
Luca
L
Palla
Piergiorgio
P
Cedrati
Fabian
F
Rodriguez-Tomé
Patricia
P
Moro
Stefano
S
D019295:Computational Biology; D016208:Databases, Factual; D008024:Ligands; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011506:Proteins / Q000737:chemistry
D008024:Ligands; D004364:Pharmaceutical Preparations; D011506:Proteins